3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine

C12H12N4S — CID 79290150

IUPAC3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC(c1cccs1)n1c(N)nc2cccnc21
InChIInChI=1S/C12H12N4S/c1-8(10-5-3-7-17-10)16-11-9(15-12(16)13)4-2-6-14-11/h2-8H,1H3,(H2,13,15)
InChIKeyUGUXYYYKTMISNW-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.68
Rot. Bonds2

About 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine

3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79290150) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79290150
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC Name3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
SMILESCC(c1cccs1)n1c(N)nc2cccnc21
InChIInChI=1S/C12H12N4S/c1-8(10-5-3-7-17-10)16-11-9(15-12(16)13)4-2-6-14-11/h2-8H,1H3,(H2,13,15)
InChIKeyUGUXYYYKTMISNW-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine (CID 79290150) is 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine is CC(c1cccs1)n1c(N)nc2cccnc21.
What is the InChIKey of 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is UGUXYYYKTMISNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c1-8(10-5-3-7-17-10)16-11-9(15-12(16)13)4-2-6-14-11/h2-8H,1H3,(H2,13,15).
What are the key properties of 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine?
3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 244.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79290150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).